O7C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C6 | sing | 1.34Å | 1.40Å | |
| O11 | C9 | doub | 1.22Å | 1.19Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C6 | C1 | sing | 1.50Å | 1.53Å | |
| C6 | C5 | doub | 1.37Å | 1.52Å | |
| C9 | C5 | sing | 1.47Å | 1.54Å | |
| C9 | C10 | sing | 1.48Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | doub | 1.38Å | 1.53Å | Aromatic |
| C29 | C24 | sing | 1.38Å | 1.52Å | Aromatic |
| C5 | C4 | sing | 1.47Å | 1.54Å | |
| C16 | C10 | doub | 1.40Å | 1.53Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.56Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | N20 | sing | 1.46Å | 1.45Å | |
| C28 | C27 | sing | 1.38Å | 1.53Å | Aromatic |
| C10 | C12 | sing | 1.40Å | 1.52Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.52Å | Aromatic |
| C15 | N20 | sing | 1.39Å | 1.47Å | |
| C15 | C14 | doub | 1.40Å | 1.49Å | Aromatic |
| N20 | C19 | sing | 1.35Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C4 | O8 | doub | 1.21Å | 1.19Å | |
| C12 | C13 | doub | 1.38Å | 1.52Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.52Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.55Å | Aromatic |
| C14 | N18 | sing | 1.39Å | 1.45Å | |
| C25 | C26 | sing | 1.38Å | 1.52Å | Aromatic |
| C19 | O21 | doub | 1.22Å | 1.18Å | |
| C19 | N18 | sing | 1.35Å | 1.47Å | |
| N18 | C22 | sing | 1.47Å | 1.45Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H21 | sing | 1.08Å | 1.08Å | |
| O7 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C6 | C1 | 119.8° | 118.7° |
| O7 | C6 | C5 | 119.5° | 118.8° |
| C6 | O7 | H22 | 109.5° | 117.0° |
| O11 | C9 | C5 | 120.6° | 120.0° |
| O11 | C9 | C10 | 117.5° | 120.0° |
| C17 | C16 | C10 | 119.4° | 120.1° |
| C17 | C16 | C15 | 121.5° | 120.2° |
| C16 | C17 | H2 | 109.5° | 109.4° |
| C16 | C17 | H3 | 109.4° | 109.4° |
| C16 | C17 | H4 | 109.5° | 109.5° |
| C1 | C6 | C5 | 120.5° | 122.5° |
| C6 | C1 | C2 | 112.2° | 111.1° |
| C6 | C1 | H10 | 108.8° | 109.1° |
| C6 | C1 | H11 | 108.8° | 109.1° |
| C6 | C5 | C9 | 118.1° | 120.0° |
| C6 | C5 | C4 | 118.2° | 120.1° |
| C5 | C9 | C10 | 121.8° | 120.0° |
| C9 | C5 | C4 | 123.4° | 120.0° |
| C9 | C10 | C16 | 121.8° | 120.0° |
| C9 | C10 | C12 | 117.2° | 120.0° |
| C1 | C2 | C3 | 114.5° | 109.2° |
| C2 | C1 | H10 | 108.8° | 109.1° |
| C2 | C1 | H11 | 108.8° | 109.2° |
| C1 | C2 | H12 | 108.2° | 109.5° |
| C1 | C2 | H13 | 108.2° | 109.5° |
| C28 | C29 | C24 | 119.1° | 120.0° |
| C29 | C28 | C27 | 120.9° | 120.0° |
| C29 | C28 | H9 | 119.6° | 120.0° |
| C28 | C29 | H21 | 120.4° | 120.0° |
| C29 | C24 | C23 | 120.3° | 120.0° |
| C29 | C24 | C25 | 120.4° | 120.0° |
| C24 | C29 | H21 | 120.5° | 120.0° |
| C5 | C4 | C3 | 118.9° | 117.7° |
| C5 | C4 | O8 | 122.7° | 121.1° |
| C10 | C16 | C15 | 119.1° | 119.7° |
| C16 | C10 | C12 | 120.9° | 120.0° |
| C16 | C15 | N20 | 134.0° | 133.2° |
| C16 | C15 | C14 | 119.1° | 120.0° |
| C24 | C23 | N20 | 107.4° | 109.5° |
| C23 | C24 | C25 | 119.3° | 120.0° |
| C24 | C23 | H17 | 110.0° | 109.5° |
| C24 | C23 | H18 | 110.0° | 109.5° |
| C23 | N20 | C15 | 128.3° | 125.9° |
| C23 | N20 | C19 | 123.3° | 125.9° |
| N20 | C23 | H17 | 110.0° | 109.5° |
| N20 | C23 | H18 | 110.0° | 109.4° |
| C28 | C27 | C26 | 119.5° | 120.0° |
| C27 | C28 | H9 | 119.5° | 120.0° |
| C28 | C27 | H20 | 120.3° | 120.0° |
| C10 | C12 | C13 | 120.3° | 120.1° |
| C10 | C12 | H16 | 119.9° | 119.9° |
| C24 | C25 | C26 | 120.2° | 120.0° |
| C24 | C25 | H19 | 119.9° | 120.0° |
| N20 | C15 | C14 | 106.9° | 106.8° |
| C15 | N20 | C19 | 108.4° | 108.2° |
| C15 | C14 | C13 | 121.9° | 120.1° |
| C15 | C14 | N18 | 108.7° | 106.8° |
| N20 | C19 | O21 | 125.2° | 125.2° |
| N20 | C19 | N18 | 108.0° | 109.7° |
| C2 | C3 | C4 | 115.6° | 107.5° |
| C3 | C2 | H12 | 108.2° | 109.5° |
| C3 | C2 | H13 | 108.2° | 109.5° |
| C2 | C3 | H14 | 107.9° | 109.8° |
| C2 | C3 | H15 | 107.9° | 109.8° |
| C3 | C4 | O8 | 118.4° | 121.2° |
| C4 | C3 | H14 | 107.9° | 109.9° |
| C4 | C3 | H15 | 107.9° | 109.9° |
| C12 | C13 | C14 | 118.6° | 120.0° |
| C12 | C13 | H1 | 120.7° | 120.0° |
| C13 | C12 | H16 | 119.8° | 119.9° |
| C27 | C26 | C25 | 119.9° | 120.0° |
| C27 | C26 | H8 | 120.0° | 120.0° |
| C26 | C27 | H20 | 120.2° | 120.0° |
| C13 | C14 | N18 | 129.4° | 133.1° |
| C14 | C13 | H1 | 120.7° | 120.0° |
| C14 | N18 | C19 | 108.0° | 108.5° |
| C14 | N18 | C22 | 124.2° | 125.7° |
| C25 | C26 | H8 | 120.1° | 120.0° |
| C26 | C25 | H19 | 119.9° | 120.0° |
| O21 | C19 | N18 | 126.8° | 125.1° |
| C19 | N18 | C22 | 127.8° | 125.8° |
| N18 | C22 | H5 | 109.5° | 109.4° |
| N18 | C22 | H6 | 109.5° | 109.4° |
| N18 | C22 | H7 | 109.5° | 109.4° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H4 | 109.4° | 109.6° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.5° |
| H5 | C22 | H7 | 109.5° | 109.5° |
| H6 | C22 | H7 | 109.4° | 109.6° |
| H10 | C1 | H11 | 109.5° | 109.1° |
| H12 | C2 | H13 | 109.5° | 109.6° |
| H14 | C3 | H15 | 109.5° | 109.8° |
| H17 | C23 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C6 | C1 | C5 | 175.0° | 179.9° |
| O7 | C6 | C5 | C9 | 11.2° | 0.6° |
| O7 | C6 | C1 | C2 | 146.9° | 157.9° |
| O7 | C6 | C5 | C4 | 175.0° | 179.4° |
| O7 | C6 | C1 | H10 | 92.7° | 37.5° |
| O7 | C6 | C1 | H11 | 26.5° | 81.7° |
| O11 | C9 | C5 | C6 | 2.2° | 65.4° |
| O11 | C9 | C5 | C10 | 178.1° | 179.9° |
| O11 | C9 | C5 | C4 | 171.3° | 114.7° |
| O11 | C9 | C10 | C16 | 68.6° | 6.9° |
| O11 | C9 | C10 | C12 | 111.0° | 173.4° |
| C17 | C16 | C10 | C9 | 0.2° | 0.2° |
| C17 | C16 | C10 | C15 | 179.8° | 179.9° |
| C17 | C16 | C10 | C12 | 179.8° | 180.0° |
| C17 | C16 | C15 | N20 | 0.3° | 0.6° |
| C17 | C16 | C15 | C14 | 179.9° | 179.5° |
| C16 | C17 | H2 | H3 | 120.0° | 119.9° |
| C16 | C17 | H2 | H4 | 120.0° | 120.0° |
| C16 | C17 | H3 | H4 | 120.0° | 120.0° |
| C1 | C6 | C5 | C9 | 173.8° | 179.4° |
| C6 | C1 | C2 | H10 | 120.4° | 120.4° |
| C6 | C1 | C2 | H11 | 120.4° | 120.4° |
| C1 | C6 | C5 | C4 | 0.1° | 0.5° |
| C6 | C1 | C2 | C3 | 51.4° | 53.4° |
| C6 | C1 | H10 | H11 | 118.7° | 119.2° |
| C6 | C1 | C2 | H12 | 172.1° | 173.3° |
| C6 | C1 | C2 | H13 | 69.4° | 66.5° |
| C1 | C6 | O7 | H22 | 173.9° | 175.0° |
| C6 | C5 | C9 | C4 | 173.5° | 180.0° |
| C6 | C5 | C9 | C10 | 175.9° | 114.6° |
| C5 | C6 | C1 | C2 | 28.1° | 22.1° |
| C6 | C5 | C4 | C3 | 5.8° | 11.8° |
| C6 | C5 | C4 | O8 | 172.0° | 168.2° |
| C5 | C6 | C1 | H10 | 92.3° | 142.5° |
| C5 | C6 | C1 | H11 | 148.5° | 98.4° |
| C5 | C6 | O7 | H22 | 11.0° | 4.9° |
| C5 | C9 | C10 | C16 | 113.3° | 173.2° |
| C5 | C9 | C10 | C12 | 67.1° | 6.6° |
| C9 | C5 | C4 | C3 | 179.3° | 168.2° |
| C9 | C5 | C4 | O8 | 1.5° | 11.8° |
| C10 | C9 | C5 | C4 | 10.6° | 65.4° |
| C9 | C10 | C16 | C12 | 179.6° | 179.7° |
| C9 | C10 | C16 | C15 | 179.6° | 179.7° |
| C9 | C10 | C12 | C13 | 179.7° | 180.0° |
| C9 | C10 | C12 | H16 | 0.3° | 0.0° |
| C1 | C2 | C3 | H12 | 120.7° | 119.9° |
| C1 | C2 | C3 | H13 | 120.7° | 119.9° |
| C1 | C2 | C3 | C4 | 46.7° | 63.2° |
| C2 | C1 | H10 | H11 | 118.7° | 119.2° |
| C1 | C2 | H12 | H13 | 117.7° | 120.1° |
| C1 | C2 | C3 | H14 | 74.2° | 56.3° |
| C1 | C2 | C3 | H15 | 167.6° | 177.2° |
| C28 | C29 | C24 | H21 | 180.0° | 180.0° |
| C28 | C29 | C24 | C23 | 180.0° | 179.7° |
| C29 | C28 | C27 | H9 | 180.0° | 179.2° |
| C28 | C29 | C24 | C25 | 0.6° | NaN° |
| C29 | C28 | C27 | C26 | 0.2° | 0.8° |
| C29 | C28 | C27 | H20 | 179.8° | 179.2° |
| C29 | C24 | C23 | C25 | 179.4° | 179.7° |
| C29 | C24 | C23 | N20 | 154.8° | 86.1° |
| C24 | C29 | C28 | C27 | 0.3° | 0.6° |
| C29 | C24 | C25 | C26 | 0.4° | 0.3° |
| C24 | C29 | C28 | H9 | 179.7° | 179.7° |
| C29 | C24 | C23 | H17 | 35.2° | 33.9° |
| C29 | C24 | C23 | H18 | 85.5° | 154.0° |
| C29 | C24 | C25 | H19 | 179.6° | 179.7° |
| C5 | C4 | C3 | C2 | 17.1° | 42.7° |
| C5 | C4 | C3 | O8 | 177.9° | 180.0° |
| C5 | C4 | C3 | H14 | 103.8° | 76.8° |
| C5 | C4 | C3 | H15 | 138.0° | 162.2° |
| C10 | C16 | C15 | N20 | 179.5° | 179.5° |
| C10 | C16 | C15 | C14 | 0.2° | 0.6° |
| C16 | C10 | C12 | C13 | 0.1° | 0.2° |
| C10 | C16 | C17 | H2 | 90.1° | 94.2° |
| C10 | C16 | C17 | H3 | 149.9° | 145.9° |
| C10 | C16 | C17 | H4 | 29.9° | 25.9° |
| C16 | C10 | C12 | H16 | 179.9° | 179.8° |
| C16 | C15 | N20 | C23 | 1.0° | 1.0° |
| C15 | C16 | C10 | C12 | 0.1° | 0.0° |
| C16 | C15 | N20 | C14 | 179.7° | 179.0° |
| C16 | C15 | N20 | C19 | 179.9° | 179.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.9° |
| C16 | C15 | C14 | N18 | 180.0° | 179.1° |
| C15 | C16 | C17 | H2 | 90.1° | 85.9° |
| C15 | C16 | C17 | H3 | 29.9° | 34.1° |
| C15 | C16 | C17 | H4 | 149.9° | 154.0° |
| C24 | C23 | N20 | H17 | 119.6° | 120.0° |
| C24 | C23 | N20 | H18 | 119.7° | 120.0° |
| C24 | C23 | N20 | C15 | 80.4° | 97.8° |
| C24 | C23 | N20 | C19 | 98.3° | 82.2° |
| C23 | C24 | C25 | C26 | 179.8° | 180.0° |
| C24 | C23 | H17 | H18 | 121.0° | 120.0° |
| C23 | C24 | C25 | H19 | 0.2° | 0.0° |
| C23 | C24 | C29 | H21 | 0.0° | 0.3° |
| N20 | C23 | C24 | C25 | 25.8° | 94.2° |
| C23 | N20 | C15 | C19 | 178.8° | 180.0° |
| C23 | N20 | C15 | C14 | 179.3° | 180.0° |
| C23 | N20 | C19 | O21 | 0.7° | 0.0° |
| C23 | N20 | C19 | N18 | 179.4° | 180.0° |
| N20 | C23 | H17 | H18 | 121.0° | 120.0° |
| C28 | C27 | C26 | H20 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.4° | 0.6° |
| C28 | C27 | C26 | H8 | 179.6° | 179.5° |
| C27 | C28 | C29 | H21 | 179.7° | 179.5° |
| C10 | C12 | C13 | H16 | 180.0° | 180.0° |
| C10 | C12 | C13 | C14 | 0.2° | 0.1° |
| C10 | C12 | C13 | H1 | 179.8° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C24 | C25 | C26 | H19 | 180.0° | 180.0° |
| C24 | C25 | C26 | H8 | 179.9° | 180.0° |
| C25 | C24 | C23 | H17 | 145.4° | 145.8° |
| C25 | C24 | C23 | H18 | 93.9° | 25.8° |
| C25 | C24 | C29 | H21 | 179.4° | 180.0° |
| N20 | C15 | C14 | C13 | 179.6° | 180.0° |
| N20 | C15 | C14 | N18 | 0.3° | 0.0° |
| C15 | N20 | C19 | O21 | 179.6° | 180.0° |
| C15 | N20 | C19 | N18 | 0.5° | 0.0° |
| C15 | N20 | C23 | H17 | 39.2° | 22.2° |
| C15 | N20 | C23 | H18 | 159.9° | 142.2° |
| C14 | C15 | N20 | C19 | 0.4° | 0.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.6° |
| C15 | C14 | C13 | N18 | 179.9° | 180.0° |
| C15 | C14 | N18 | C19 | 0.0° | 0.0° |
| C15 | C14 | N18 | C22 | 180.0° | 179.9° |
| C15 | C14 | C13 | H1 | 179.9° | 179.5° |
| N20 | C19 | N18 | C14 | 0.3° | 0.0° |
| N20 | C19 | O21 | N18 | 179.9° | 180.0° |
| N20 | C19 | N18 | C22 | 179.7° | 179.9° |
| C19 | N20 | C23 | H17 | 142.1° | 157.8° |
| C19 | N20 | C23 | H18 | 21.4° | 37.8° |
| C2 | C3 | C4 | H14 | 120.9° | 119.5° |
| C2 | C3 | C4 | H15 | 120.9° | 119.5° |
| C2 | C3 | C4 | O8 | 165.0° | 137.3° |
| C3 | C2 | C1 | H10 | 69.1° | 173.8° |
| C3 | C2 | C1 | H11 | 171.8° | 67.0° |
| C3 | C2 | H12 | H13 | 117.7° | 120.1° |
| C2 | C3 | H14 | H15 | 117.2° | 120.9° |
| C4 | C3 | C2 | H12 | 167.4° | 176.8° |
| C4 | C3 | C2 | H13 | 74.1° | 56.7° |
| C4 | C3 | H14 | H15 | 117.2° | 121.0° |
| O8 | C4 | C3 | H14 | 74.2° | 103.2° |
| O8 | C4 | C3 | H15 | 44.1° | 17.8° |
| C12 | C13 | C14 | H1 | 180.0° | 179.9° |
| C12 | C13 | C14 | N18 | 179.8° | 179.4° |
| C27 | C26 | C25 | H8 | 180.0° | 179.9° |
| C26 | C27 | C28 | H9 | 179.8° | 180.0° |
| C27 | C26 | C25 | H19 | 179.9° | 180.0° |
| C13 | C14 | N18 | C19 | 179.9° | 180.0° |
| C13 | C14 | N18 | C22 | 0.1° | 0.1° |
| C14 | C13 | C12 | H16 | 179.8° | 179.9° |
| C14 | N18 | C19 | O21 | 179.8° | 180.0° |
| C14 | N18 | C19 | C22 | 180.0° | 180.0° |
| N18 | C14 | C13 | H1 | 0.2° | 0.5° |
| C14 | N18 | C22 | H5 | 180.0° | 90.0° |
| C14 | N18 | C22 | H6 | 60.0° | 150.0° |
| C14 | N18 | C22 | H7 | 60.0° | 30.0° |
| C25 | C26 | C27 | H20 | 179.6° | 179.4° |
| O21 | C19 | N18 | C22 | 0.3° | 0.0° |
| C19 | N18 | C22 | H5 | 0.0° | 90.1° |
| C19 | N18 | C22 | H6 | 120.1° | 29.9° |
| C19 | N18 | C22 | H7 | 120.0° | 150.0° |
| N18 | C22 | H5 | H6 | 120.0° | 120.0° |
| N18 | C22 | H5 | H7 | 120.0° | 119.9° |
| N18 | C22 | H6 | H7 | 120.0° | 120.0° |
| H1 | C13 | C12 | H16 | 0.2° | 0.0° |
| H2 | C17 | H3 | H4 | 120.0° | 120.1° |
| H5 | C22 | H6 | H7 | 120.0° | 120.1° |
| H8 | C26 | C25 | H19 | 0.1° | 0.0° |
| H8 | C26 | C27 | H20 | 0.4° | 0.5° |
| H9 | C28 | C27 | H20 | 0.2° | 0.0° |
| H9 | C28 | C29 | H21 | 0.3° | 0.3° |
| H10 | C1 | C2 | H12 | 51.7° | 66.3° |
| H10 | C1 | C2 | H13 | 170.2° | 53.9° |
| H11 | C1 | C2 | H12 | 67.5° | 52.9° |
| H11 | C1 | C2 | H13 | 51.0° | 173.1° |
| H12 | C2 | C3 | H14 | 46.5° | 63.6° |
| H12 | C2 | C3 | H15 | 71.7° | 57.3° |
| H13 | C2 | C3 | H14 | 165.1° | 176.2° |
| H13 | C2 | C3 | H15 | 46.8° | 62.9° |
